3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide

C15H25N3O2 — CID 62834910

IUPAC3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C15H25N3O2/c1-3-16-10-9-15(20)17-13-5-7-14(8-6-13)18(4-2)11-12-19/h5-8,16,19H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyNAGRAYWDGJIMIT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.44
Rot. Bonds9

About 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide

3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide (PubChem CID 62834910) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
PubChem CID62834910
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C15H25N3O2/c1-3-16-10-9-15(20)17-13-5-7-14(8-6-13)18(4-2)11-12-19/h5-8,16,19H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyNAGRAYWDGJIMIT-UHFFFAOYSA-N
XLogP1.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
CID 62837414
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
CID 62833618
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
CID 62833947
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide (CID 62834910) is 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide is CCNCCC(=O)Nc1ccc(N(CC)CCO)cc1.
What is the InChIKey of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The InChIKey is NAGRAYWDGJIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-16-10-9-15(20)17-13-5-7-14(8-6-13)18(4-2)11-12-19/h5-8,16,19H,3-4,9-12H2,1-2H3,(H,17,20).
What are the key properties of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide is sourced from PubChem (CID 62834910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).